N-[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C22H17N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C22H17N5S |
| Smiles | C(c1ccccc1)n1c(cccc2)c2nc1/C=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C22H17N5S/c1-2-8-16(9-3-1)15-27-19-12-6-4-10-17(19)24-21(27)14-23-26-22-25-18-11-5-7-13-20(18)28-22/h1-14H,15H2,(H,25,26) |
| InChIK | WPCMWNJONZWRCB-UHFFFAOYSA-N |
| TotalMolweight | 383.478 |
| Molweight | 383.478 |
| MonoisotopicMass | 383.120465 |
| CLogP | 6.6227 |
| CLogS | -4.064 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.62 |
| Relative PSA | 0.24486 |
| PolarSurfaceArea | 83.34 |
| Druglikeness | 4.5451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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